Electrical transport properties of ZrS2 under high pressure.

The investigation of the electrical transport properties of ZrS 2 is conducted up to 30.7 GPa using first-principles calculation and electrical experimental methods. The electrical parameters of ZrS 2 are investigated under high pressure conditions using the thin film integrated microcircuit technology on a diamond anvil cell. The structural phase transitions occur at approximately 2.0 GPa and 6.0 GPa, as evidenced by changes in the energy band structure and discontinuities in electrical parameters. At around 12.3 GPa, the pressure-induced metallization is observed by temperature-induced resistivity and the closing of the band gap. The sudden decrease in resistivity can be attributed to the combined contribution of an increase in carrier concentration and mobility. Similarly, the abrupt decrease in Hall coefficient is attributed to the increase in carrier concentration. [Display omitted] • ZrS 2 undergoes two phase transitions by theoretical calculation. • The reversible structural phase transitions causes changes in electronic properties. • Metallization occurs at around 12.3 GPa via temperature-induced resistivity. • The measured electrical parameters confirm the generation of phase transitions. [ABSTRACT FROM AUTHOR]